Arboloscine
| Internal ID | d4266c82-dc27-49f6-ac93-f8a7361565fc |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Amino acids and derivatives > Delta amino acids and derivatives |
| IUPAC Name | methyl (2Z)-2-[(6R)-6-ethyl-9-oxo-2,10-diazatetracyclo[8.7.0.01,6.011,16]heptadeca-11,13,15-trien-17-ylidene]acetate |
| SMILES (Canonical) | CCC12CCCNC13C(=CC(=O)OC)C4=CC=CC=C4N3C(=O)CC2 |
| SMILES (Isomeric) | CC[C@]12CCCNC13/C(=C\C(=O)OC)/C4=CC=CC=C4N3C(=O)CC2 |
| InChI | InChI=1S/C20H24N2O3/c1-3-19-10-6-12-21-20(19)15(13-18(24)25-2)14-7-4-5-8-16(14)22(20)17(23)9-11-19/h4-5,7-8,13,21H,3,6,9-12H2,1-2H3/b15-13-/t19-,20?/m1/s1 |
| InChI Key | FLSJNIUAKREQKD-LWRAOMQUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 58.60 Ų |
| XlogP | 1.80 |
| CHEMBL400902 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.22% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.97% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.12% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.83% | 86.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.32% | 82.69% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.90% | 83.82% |
| CHEMBL5028 | O14672 | ADAM10 | 86.55% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.43% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.25% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.68% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.56% | 97.09% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Kopsia arborea |
| PubChem | 44445748 |
| LOTUS | LTS0033961 |
| wikiData | Q104997451 |